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Blinded evaluation of farnesoid X receptor (FXR) ligands binding using molecular docking and free energy calculations

Edithe Selwa1, Eddy Elisée1, Agustin Zavala1

  • 1Institut de Chimie des Substances Naturelles, CNRS UPR 2301, LabEx LERMIT, 91198, Gif-sur-Yvette, France.

Journal of Computer-Aided Molecular Design
|September 3, 2017
PubMed

Keywords:
AutodockD3RDockingDrug design data resourceFXRFarnesoid X receptorGoldGrand Challenge 2Scoring functionVina

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